[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

C14H22N4OS — CID 53014669

IUPAC[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCN1CCN(c2nc(C(=O)N3CCCCC3)cs2)CC1
InChIInChI=1S/C14H22N4OS/c1-16-7-9-18(10-8-16)14-15-12(11-20-14)13(19)17-5-3-2-4-6-17/h11H,2-10H2,1H3
InChIKeyADPLSUHIMGNESW-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.52
Rot. Bonds2

About [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone

[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 53014669) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
PubChem CID53014669
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
SMILESCN1CCN(c2nc(C(=O)N3CCCCC3)cs2)CC1
InChIInChI=1S/C14H22N4OS/c1-16-7-9-18(10-8-16)14-15-12(11-20-14)13(19)17-5-3-2-4-6-17/h11H,2-10H2,1H3
InChIKeyADPLSUHIMGNESW-UHFFFAOYSA-N
XLogP1.52
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 53014669) is [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is CN1CCN(c2nc(C(=O)N3CCCCC3)cs2)CC1.
What is the InChIKey of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is ADPLSUHIMGNESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-16-7-9-18(10-8-16)14-15-12(11-20-14)13(19)17-5-3-2-4-6-17/h11H,2-10H2,1H3.
What are the key properties of [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 294.42 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53014669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).